Thermodynamic Models for the Prediction of Petroleum-Fluid Phase Behaviour

Privat, Romain; Jaubert, Jean‐Noël

doi:10.5772/35025

Cited by 8 publications

(8 citation statements)

References 57 publications

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“…This practice is also common for the EOS, where some temperature-dependent relationships are generated for the k ij binary interaction parameter. 14 These modifications, and other more specific ones, can be sufficient to improve the representation of fluid behavior but can also lead to problems of data reduction. The inconvenience of using this strategy is related to the overfitting problem.…”

Section: Introductionmentioning

confidence: 99%

“…proposed modifications for the NRTL model by improving the modeling of the functional g E = g E ( x,T ) for liquid–liquid equilibria, Gmehling et al modified the relationships between the interaction parameters and their temperature dependence for UNIFAC, and so on. This practice is also common for the EOS, where some temperature-dependent relationships are generated for the k ij binary interaction parameter . These modifications, and other more specific ones, can be sufficient to improve the representation of fluid behavior but can also lead to problems of data reduction.…”

Section: Introductionmentioning

confidence: 99%

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The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

Sosa

Fernández

Ortega

et al. 2019

Ind. Eng. Chem. Res.

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This work shows a new approach to the parameter-fitting problem useful in the solutions thermodynamic field, providing a more objective framework to obtain better empirical/semiempirical models for chemical engineering applications. A model based on the excess Gibbs energy function g E is used to represent the behavior of real solutions, together with its first derivative h E, using a combined modeling under the paradigm of multiobjective optimization. The problem is formulated as an MINLP methodology to simultaneously consider two aspects: the model complexity and the best parametrization to prevent the overfitting, controlling the trade-off between them by applying the Akaike Information Criterion to g E residuals. Two different solvers, one deterministic (SBB/CONOPT) and another evolutionary (GA), are used, and their ability to solve the problem is analyzed. The designed methodology is applied to three highlighted VLE cases in chemical engineering, and the results obtained show the ability of the method to get the best model in each case. The proposed methodology proved useful for modulating the number of parameters considering the imposed requirements, which decrease as the accuracy requirements for h E are relaxed. The efficient-fronts obtained show a small trade-off region, noting that the proposed framework provides the simplest models with the minimum completeness uncertainty.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

Sosa

Fernández

Ortega

et al. 2019

Ind. Eng. Chem. Res.

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“…The two most popular cubic EoS are the Redlich–Kwong (RK) and the Peng–Robinson (PR) , EoS. The preference for this type of model is due to its simplicity and accuracy, mainly related to hydrocarbons processing . Other advantages include a correct behavior when volume tends to covolume and pressure tends to infinity, its easy adaptation in order to increase its accuracy in volumetric and thermodynamic properties calculations, and its easy extension to mixtures, among others …”

Section: Introductionmentioning

confidence: 99%

“…To obtain good results in complex systems, it is essential to have high precision in the calculation of pure substances properties. Over the years, there have been various proposals of modifications in the temperature-dependent function α( T ) in the attractive term of these equations to improve vapor pressure prediction, especially for polar fluids . Normally, the strategy consists of model proposals, followed by estimation of compound-dependent parameters for these models and the generalization of the parameters based on some intrinsic property of each component.…”

Section: Introductionmentioning

confidence: 99%

Comparison of 20 Alpha Functions Applied in the Peng–Robinson Equation of State for Vapor Pressure Estimation

Young

Pessoa

Ahón

2016

Ind. Eng. Chem. Res.

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Since Peng and Robinson proposed their cubic equation of state (cubic EoS) in 1976, several attempts were made to improve its performance and to extend its application to an increasing number of substances. Many authors have focused in vapor pressure calculation, which in great part signifies the proposal of a new alpha function for the attractive term. In this work, 20 alpha function models were compared in vapor pressure estimation for 56 compounds with the Peng−Robinson EoS. The values calculated with the EoS were compared with values obtained from the DIPPR database. The parameters are presented as an useful data bank for future applications. With these results, it was possible to show which model had the best performance for each class of compounds, which is important information for the development of new alpha function models. The alpha functions of Androulakis et al., Schwartzentruber et al., and Almeida−Aznar−Telles obtained the best results among all the models evaluated.

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“…This model is widely used in the petroleum and chemical industries due to its simplicity and accuracy [62][63][64].…”

Section: Thermodynamic Modelmentioning

confidence: 99%

Surface-Response Analysis for the Optimization of a Carbon Dioxide Absorption Process Using [hmim][Tf2N]

Leonzio

Zondervan

2020

Processes

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The [hmim][Tf2N] ionic liquid is considered in this work to develop a model in Aspen Plus® capturing carbon dioxide from shifted flue gas through physical absorption. Ionic liquids are innovative and promising green solvents for the capture of carbon dioxide. As an important aspect of this research, optimization is carried out for the carbon capture system through a central composite design: simulation and statistical analysis are combined together. This leads to important results such as the identification of significant factors and their combinations. Surface plots and mathematical models are developed for capital costs, operating costs and removal of carbon dioxide. These models can be used to find optimal operating conditions maximizing the amount of captured carbon dioxide and minimizing total costs: the percentage of carbon dioxide removal is 93.7%, operating costs are 0.66 million €/tonCO2 captured (due to the high costs of ionic liquid), and capital costs are 52.2 €/tonCO2 captured.

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Thermodynamic Models for the Prediction of Petroleum-Fluid Phase Behaviour

Cited by 8 publications

References 57 publications

The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

Comparison of 20 Alpha Functions Applied in the Peng–Robinson Equation of State for Vapor Pressure Estimation

Surface-Response Analysis for the Optimization of a Carbon Dioxide Absorption Process Using [hmim][Tf2N]

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